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CS-W001157 4
Total: USD 88.00

N-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide

  • CAS No. 585-97-7

  • Cat. No. CS-0233493
  • Molecule weight279.64
  • Purity95+%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

N-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide|CS-0233493

Structure of 585-97-7

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General Information

  • CAS No. 585-97-7
  • Cat. No. CS-0233493
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉ClF₃NO₂
  • Molecular Weight 279.64
  • Synonym(s) N-[2-chloro-5-(trifluoromethyl)phenyl]-3-keto-butyramide
  • SMILES CC(CC(NC1=C(Cl)C=CC(C(F)(F)F)=C1)=O)=O

Synthesis

  • Route1
    • 1-Chloro-2-nitro-3-(trifluoromethyl)benzene|CS-0186327
      386-70-9
    • ~%
    • N-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide|CS-0233493
      585-97-7

    References

    • Porai-Koschiz et al. Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1955 , vol. 28, p. 969,972 Chem.Abstr., 1956 , p. 4880
  • Route2

    References

    • Porai-Koschiz et al. Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1955 , vol. 28, p. 969,972 Chem.Abstr., 1956 , p. 4880

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   3.2764
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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